6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one

C16H22ClN3O — CID 43691672

IUPAC6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(Nc1cc2c(cc1Cl)NC(=O)C2)C1CCN(C)CC1
InChIInChI=1S/C16H22ClN3O/c1-10(11-3-5-20(2)6-4-11)18-15-7-12-8-16(21)19-14(12)9-13(15)17/h7,9-11,18H,3-6,8H2,1-2H3,(H,19,21)
InChIKeyGEWVEQDTQKVCDK-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.98
Rot. Bonds3

About 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one

6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43691672) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43691672
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(Nc1cc2c(cc1Cl)NC(=O)C2)C1CCN(C)CC1
InChIInChI=1S/C16H22ClN3O/c1-10(11-3-5-20(2)6-4-11)18-15-7-12-8-16(21)19-14(12)9-13(15)17/h7,9-11,18H,3-6,8H2,1-2H3,(H,19,21)
InChIKeyGEWVEQDTQKVCDK-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one (CID 43691672) is 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one is CC(Nc1cc2c(cc1Cl)NC(=O)C2)C1CCN(C)CC1.
What is the InChIKey of 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is GEWVEQDTQKVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-10(11-3-5-20(2)6-4-11)18-15-7-12-8-16(21)19-14(12)9-13(15)17/h7,9-11,18H,3-6,8H2,1-2H3,(H,19,21).
What are the key properties of 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 307.83 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).